John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9F3nk1vgUqD SpectraBase Spectrum ID=AWNC4aO1Tu3

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METHYL-[1,1';4',1'']-TERPHENYL-4,3''-DICARBOXIMIDOTHIONATE-DIHYDROIODIDE
SpectraBase Compound ID 9F3nk1vgUqD
InChI InChI=1S/C22H20N2S2.2HI/c1-25-21(23)18-12-10-16(11-13-18)15-6-8-17(9-7-15)19-4-3-5-20(14-19)22(24)26-2;;/h3-14,23-24H,1-2H3;2*1H
InChIKey FIVQAABMYNWELX-UHFFFAOYSA-N
Mol Weight 632.36095 g/mol
Molecular Formula C22H22I2N2S2
Exact Mass 631.931396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWNC4aO1Tu3
Name METHYL-[1,1';4',1'']-TERPHENYL-4,3''-DICARBOXIMIDOTHIONATE-DIHYDROIODIDE
Compound Number 13D
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Formula C22H22I2N2S2
InChI InChI=1S/C22H20N2S2.2HI/c1-25-21(23)18-12-10-16(11-13-18)15-6-8-17(9-7-15)19-4-3-5-20(14-19)22(24)26-2;;/h3-14,23-24H,1-2H3;2*1H
InChIKey FIVQAABMYNWELX-UHFFFAOYSA-N
Literature Reference Author W.V.D.SAAL,R.A.ENGH,A.EICHINGER,B.GABRIEL,R.KUCZNIERZ,J.SAUE R
Literature Reference Citation ARCH.PHARM.,329,73(1996)
Literature Reference DOI 10.1002/ardp.19963290204
Molecular Weight 632.359 g/mol
Solvent DMSO-D6
Source File Reference UWRU5424
SpectraBase Batch ID IQZcW3VYvPO